Home Other Building Blocks Carbamic acid, N-[(3S)-1-(1-methylethyl)-3-pyrrolidinyl]-, phenylmethyl ester

Carbamic acid, N-[(3S)-1-(1-methylethyl)-3-pyrrolidinyl]-, phenylmethyl ester

CAS No.:
2007924-91-4
Catalog Number:
AG002D09
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
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Product Description
Catalog Number:
AG002D09
Chemical Name:
Carbamic acid, N-[(3S)-1-(1-methylethyl)-3-pyrrolidinyl]-, phenylmethyl ester
CAS Number:
2007924-91-4
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD30471648
IUPAC Name:
benzyl N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C15H22N2O2/c1-12(2)17-9-8-14(10-17)16-15(18)19-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,16,18)/t14-/m0/s1
InChI Key:
QYRHPZBDSVGXKW-AWEZNQCLSA-N
SMILES:
O=C(N[C@H]1CCN(C1)C(C)C)OCc1ccccc1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties